4,7-dimethyl-1-azabicyclo[4.1.0]hept-3-ene

C8H13N — CID 163585985

IUPAC4,7-dimethyl-1-azabicyclo[4.1.0]hept-3-ene
SMILESCC1=CCN2C(C)C2C1
InChIInChI=1S/C8H13N/c1-6-3-4-9-7(2)8(9)5-6/h3,7-8H,4-5H2,1-2H3
InChIKeyGLNBKIDVTVSKSM-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.41
Rot. Bonds

About 4,7-dimethyl-1-azabicyclo[4.1.0]hept-3-ene

4,7-dimethyl-1-azabicyclo[4.1.0]hept-3-ene (PubChem CID 163585985) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 4,7-dimethyl-1-azabicyclo[4.1.0]hept-3-ene.

Molecular Properties

Compound Name4,7-dimethyl-1-azabicyclo[4.1.0]hept-3-ene
PubChem CID163585985
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name4,7-dimethyl-1-azabicyclo[4.1.0]hept-3-ene
SMILESCC1=CCN2C(C)C2C1
InChIInChI=1S/C8H13N/c1-6-3-4-9-7(2)8(9)5-6/h3,7-8H,4-5H2,1-2H3
InChIKeyGLNBKIDVTVSKSM-UHFFFAOYSA-N
XLogP1.41
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1-azabicyclo[4.1.0]hept-3-ene?
The IUPAC name of 4,7-dimethyl-1-azabicyclo[4.1.0]hept-3-ene (CID 163585985) is 4,7-dimethyl-1-azabicyclo[4.1.0]hept-3-ene.
What is the SMILES notation for 4,7-dimethyl-1-azabicyclo[4.1.0]hept-3-ene?
The canonical SMILES for 4,7-dimethyl-1-azabicyclo[4.1.0]hept-3-ene is CC1=CCN2C(C)C2C1.
What is the InChIKey of 4,7-dimethyl-1-azabicyclo[4.1.0]hept-3-ene?
The InChIKey is GLNBKIDVTVSKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6-3-4-9-7(2)8(9)5-6/h3,7-8H,4-5H2,1-2H3.
What are the key properties of 4,7-dimethyl-1-azabicyclo[4.1.0]hept-3-ene?
4,7-dimethyl-1-azabicyclo[4.1.0]hept-3-ene has a molecular weight of 123.20 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1-azabicyclo[4.1.0]hept-3-ene is sourced from PubChem (CID 163585985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).